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HCID 2736265Erstellt: 26. Oktober 2026

3,5-Dimethylisoxazole-4-carbonyl Chloride

BUTTPARK 27\08-44 · TIMTEC-BB SBB005465 · 3,5-Dimethylisoxazole-4-carbonyl c · 3,5-Dimethylisoxazole-4-carbonylhloride · 5-Dimethylisoxazole-4-carbonyl chloride · diMethyl-1,2-oxazole-4-carbonyl chloride · 3,5-Dimethylisoxazole-4-carbnyl chloride · 3,5-dimethyl-4-isoxazolecarbonyl chloride

https://huagongshe.com/de/chemical/2736265

Molekülstruktur von 3,5-Dimethylisoxazole-4-carbonyl Chloride

Identifikatoren & physikalische Daten

CAS No.31301-45-8
SummenformelC6H6ClNO2
Durchschnittliche Molmasse159,57 g/mol
Monoisotopische Masse159,0087061 g/mol
SMILESCc1noc(C)c1C(=O)Cl
InChIKeyMPYGFFPGJMGVSW-UHFFFAOYSA-N
PubChem CID2736265
EC No.673-076-1
DTXSIDDTXSID00371242

Chemische & physikalische Eigenschaften

XLogP1,7
Polarare Oberfläche (TPSA)43,1
H-Brücken-Donoren0
H-Brücken-Akzeptoren3
Frei drehbare Bindungen1
Schwere Atome10
Formalladung0
Komplexität151
Siedepunkt90°C 15mm
Dichte1.282±0.06 g/cm3(Predicted)
Brechungsindex1.4960 to 1.5000
pKa (Säurekonstante)-2.98±0.28(Predicted)
Aggregatzustandclear liquid
FarbeColorless to Light orange to Yellow
LöslichkeitReacts with water.
CAS Datenbank31301-45-8(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-EinstufungDangerH290 (12.5%): May be corrosive to metals [Warning Corrosive to Metals]H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H318 (12.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H335 (25%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P234, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard Classes and CategoriesMet. Corr. 1 (12.5%)Skin Corr. 1B (100%)Eye Dam. 1 (12.5%)STOT SE 3 (25%)
UN-Transportnummer3265
Zollcode29349990
R-Sätze (R)34-36
GefahrensymboleC,Xi
hazard_noteIrritant
Sicherheitshinweise (S)26-36/37/39-26/36/37/39/45/60-20-45-25
Gefahrenklasse8
VerpackungsgruppeII